3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione

C10H8ClNO3 — CID 141225509

IUPAC3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2
InChIKeyZTJPEMPJPVZVKM-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.82
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione

3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 141225509) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione
PubChem CID141225509
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2
InChIKeyZTJPEMPJPVZVKM-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione (CID 141225509) is 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is ZTJPEMPJPVZVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 225.63 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 141225509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).